CID 38903

7,8-dichloro-10-(2-(diethylamino)ethyl)isoalloxazine hydrochloride

Structural Information

Molecular Formula
C16H17Cl2N5O2
SMILES
CCN(CC)CCN1C2=CC(=C(C=C2N=C3C1=NC(=O)NC3=O)Cl)Cl
InChI
InChI=1S/C16H17Cl2N5O2/c1-3-22(4-2)5-6-23-12-8-10(18)9(17)7-11(12)19-13-14(23)20-16(25)21-15(13)24/h7-8H,3-6H2,1-2H3,(H,21,24,25)
InChIKey
WSVXBYKMYKWVJJ-UHFFFAOYSA-N
Compound name
7,8-dichloro-10-[2-(diethylamino)ethyl]benzo[g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.07593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.08321 184.9
[M+Na]+ 404.06515 201.4
[M+NH4]+ 399.10975 191.1
[M+K]+ 420.03909 193.1
[M-H]- 380.06865 186.0
[M+Na-2H]- 402.05060 189.6
[M]+ 381.07538 188.1
[M]- 381.07648 188.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.